Vitas-M small molecule compound

2-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1H-isoindole-1,3(2H)-dione

Catalog ID
STK763030
SMILES COc1ccc(cc1CSc1nnc(s1)N1C(=O)c2c(C1=O)cccc2)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H12N4O5S2 MW 428.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O5S2/c1-27-14-7-6-11(22(25)26)8-10(14)9-28-18-20-19-17(29-18)21-15(23)12-4-2-3-5-13(12)16(21)24/h2-8H,9H2,1H3
InChIKey
SWMRTZAPWYACDA-UHFFFAOYSA-N
Synonyms

2(5((2methoxy5nitrobenzyl)sulfanyl)134thiadiazol2yl)1Hisoindole13(2H)dione
2(5((2METHOXY5NITROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)ISOINDOLE13DIONE
2(5((2METHOXY5NITROPHENYL)METHYLTHIO)134THIADIAZOL2YL)BENZO(C)AZOLINE13DIONE
COC1=C(C=C(C=C1)(N+)(=O)(O))CSC2=NN=C(S2)N3C(=O)C4=CC=CC=C4C3=O
COc1ccc(cc1CSc1nnc(s1)N1C(=O)c2c(C1=O)cccc2)(N+)(=O)(O)
InChI=1SC18H12N4O5S2c127147611(22(25)26)810(14)92818201917(2918)2115(23)12423513(12)16(21)24h28H9H21H3
MFCD02039711
ZINC000003671654
ZINC03671654
ZINC3671654

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Available files

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